N-[[(2R)-1-ethylpiperidin-2-yl]methyl]-5,6-dimethylpyrimidin-4-amine

C14H24N4 — CID 97113229

IUPACN-[[(2R)-1-ethylpiperidin-2-yl]methyl]-5,6-dimethylpyrimidin-4-amine
SMILESCCN1CCCC[C@@H]1CNc1ncnc(C)c1C
InChIInChI=1S/C14H24N4/c1-4-18-8-6-5-7-13(18)9-15-14-11(2)12(3)16-10-17-14/h10,13H,4-9H2,1-3H3,(H,15,16,17)/t13-/m1/s1
InChIKeyKTNGGKKLFCYQBT-CYBMUJFWSA-N
MW248.37 g/mol
LogP2.38
Rot. Bonds4

About N-[[(2R)-1-ethylpiperidin-2-yl]methyl]-5,6-dimethylpyrimidin-4-amine

N-[[(2R)-1-ethylpiperidin-2-yl]methyl]-5,6-dimethylpyrimidin-4-amine (PubChem CID 97113229) has the molecular formula C14H24N4 and a molecular weight of 248.37 g/mol. Its IUPAC name is N-[[(2R)-1-ethylpiperidin-2-yl]methyl]-5,6-dimethylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[[(2R)-1-ethylpiperidin-2-yl]methyl]-5,6-dimethylpyrimidin-4-amine
PubChem CID97113229
Molecular FormulaC14H24N4
Molecular Weight248.37 g/mol
Exact Mass248.20
IUPAC NameN-[[(2R)-1-ethylpiperidin-2-yl]methyl]-5,6-dimethylpyrimidin-4-amine
SMILESCCN1CCCC[C@@H]1CNc1ncnc(C)c1C
InChIInChI=1S/C14H24N4/c1-4-18-8-6-5-7-13(18)9-15-14-11(2)12(3)16-10-17-14/h10,13H,4-9H2,1-3H3,(H,15,16,17)/t13-/m1/s1
InChIKeyKTNGGKKLFCYQBT-CYBMUJFWSA-N
XLogP2.38
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[(2R)-1-ethylpiperidin-2-yl]methyl]-5,6-dimethylpyrimidin-4-amine?
The IUPAC name of N-[[(2R)-1-ethylpiperidin-2-yl]methyl]-5,6-dimethylpyrimidin-4-amine (CID 97113229) is N-[[(2R)-1-ethylpiperidin-2-yl]methyl]-5,6-dimethylpyrimidin-4-amine.
What is the SMILES notation for N-[[(2R)-1-ethylpiperidin-2-yl]methyl]-5,6-dimethylpyrimidin-4-amine?
The canonical SMILES for N-[[(2R)-1-ethylpiperidin-2-yl]methyl]-5,6-dimethylpyrimidin-4-amine is CCN1CCCC[C@@H]1CNc1ncnc(C)c1C.
What is the InChIKey of N-[[(2R)-1-ethylpiperidin-2-yl]methyl]-5,6-dimethylpyrimidin-4-amine?
The InChIKey is KTNGGKKLFCYQBT-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H24N4/c1-4-18-8-6-5-7-13(18)9-15-14-11(2)12(3)16-10-17-14/h10,13H,4-9H2,1-3H3,(H,15,16,17)/t13-/m1/s1.
What are the key properties of N-[[(2R)-1-ethylpiperidin-2-yl]methyl]-5,6-dimethylpyrimidin-4-amine?
N-[[(2R)-1-ethylpiperidin-2-yl]methyl]-5,6-dimethylpyrimidin-4-amine has a molecular weight of 248.37 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R)-1-ethylpiperidin-2-yl]methyl]-5,6-dimethylpyrimidin-4-amine is sourced from PubChem (CID 97113229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).